2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole

C24H34N2 — CID 134343762

IUPAC2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
SMILESC/C=C\C(=C/CC)c1[nH]c2ccc(C3CCN(C)CC3)cc2c1C(C)C
InChIInChI=1S/C24H34N2/c1-6-8-19(9-7-2)24-23(17(3)4)21-16-20(10-11-22(21)25-24)18-12-14-26(5)15-13-18/h6,8-11,16-18,25H,7,12-15H2,1-5H3/b8-6-,19-9+
InChIKeyHDRFWVWILLEBFR-WOBUGMMBSA-N
MW350.55 g/mol
LogP6.47
Rot. Bonds5

About 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole

2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole (PubChem CID 134343762) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
PubChem CID134343762
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
SMILESC/C=C\C(=C/CC)c1[nH]c2ccc(C3CCN(C)CC3)cc2c1C(C)C
InChIInChI=1S/C24H34N2/c1-6-8-19(9-7-2)24-23(17(3)4)21-16-20(10-11-22(21)25-24)18-12-14-26(5)15-13-18/h6,8-11,16-18,25H,7,12-15H2,1-5H3/b8-6-,19-9+
InChIKeyHDRFWVWILLEBFR-WOBUGMMBSA-N
XLogP6.47
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

acetylene;5-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[(4E)-2-methylhepta-2,4-dien-4-yl]-3-propan-2-yl-1H-indole
CID 142302336
[4-[2-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 142302550
2-[(3E,5E)-2-methyl-6-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-4-yl]-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134343761
5-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indole
CID 142302432
N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide
CID 145432316
2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-ethyl-5-(1-methylpiperidin-4-yl)-1H-indole
CID 142302612
3-[methyl(propyl)amino]-1-[4-[3-propan-2-yl-2-[(4E,6E)-2,6,7-trimethylnona-2,4,6-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]propan-1-one
CID 142302510
(2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile
CID 142302514
2-[(2Z,4E)-6,7-dimethylnona-2,4,6-trien-4-yl]-3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indole
CID 142302638
7-ethyl-8-methyl-6-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 145431932
2-[4-[2-[(2E,4Z)-5-methyl-6-(methyliminomethylimino)hepta-2,4-dien-3-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-propylacetamide
CID 145432088
2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134329447

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
The IUPAC name of 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole (CID 134343762) is 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole is C/C=C\C(=C/CC)c1[nH]c2ccc(C3CCN(C)CC3)cc2c1C(C)C.
What is the InChIKey of 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
The InChIKey is HDRFWVWILLEBFR-WOBUGMMBSA-N. The full InChI is InChI=1S/C24H34N2/c1-6-8-19(9-7-2)24-23(17(3)4)21-16-20(10-11-22(21)25-24)18-12-14-26(5)15-13-18/h6,8-11,16-18,25H,7,12-15H2,1-5H3/b8-6-,19-9+.
What are the key properties of 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole?
2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole has a molecular weight of 350.55 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134343762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).